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5OB7

X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole (crystal 2)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
Collection date2014-04-07
DetectorRIGAKU SATURN 944
Wavelength(s)1.5418
Spacegroup nameP 43 21 2
Unit cell lengths78.968, 78.968, 36.604
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution55.840 - 2.100
R-factor0.15738
Rwork0.153
R-free0.23440
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)193l
RMSD bond length0.016
RMSD bond angle1.649
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.8402.140
High resolution limit [Å]2.1002.100
Rmerge0.0570.296
Number of reflections6694
<I/σ(I)>11.44.2
Completeness [%]93.393.3
Redundancy3.12.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2981.1 M NaCl, 0.1 M sodium acetate at pH 4.0-4.4

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